Chemical ID: 7468183

c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(cc3)C(=O)O
Chemical ID:
7468183
Name [?]:
4-[(4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)methyl]benzoic acid
SMILES [?]:
c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(cc3)C(=O)O
InChi [?]:
InChI=1/C16H13NO4/c18-15-10-21-14-4-2-1-3-13(14)17(15)9-11-5-7-12(8-6-11)16(19)20/h1-8H,9-10H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,14,18,15,17,12,10,13,16,5,4,8,19,7,9,20,21,11/E:(5,6)(7,8)(19,20)/rA:21nCCCCCCNCOCOCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s7;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13NO4
All Atoms:34
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.92985
Area:455.993
Solvation:-3.46997
Coulombic:-53.8566
Bond Count [?]
All:23
Single:15
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:283.279
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.12
LogP (Chemaxon):1.89

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